CID 352309

N-lauryldiethanolamine

Structural Information

Molecular Formula

C₁₆H₃₅NO₂

SMILES

CCCCCCCCCCCCN(CCO)CCO

InChI

InChI=1S/C16H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-17(13-15-18)14-16-19/h18-19H,2-16H2,1H3

InChIKey

NKFNBVMJTSYZDV-UHFFFAOYSA-N

Compound name

2-[dodecyl(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 7346
Patents: 273.26678 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.27406	175.4
[M+Na]+	296.25600	176.8
[M-H]-	272.25950	172.2
[M+NH4]+	291.30060	190.7
[M+K]+	312.22994	174.4
[M+H-H2O]+	256.26404	168.5
[M+HCOO]-	318.26498	194.8
[M+CH3COO]-	332.28063	204.3
[M+Na-2H]-	294.24145	175.5
[M]+	273.26623	179.9
[M]-	273.26733	179.9

Literature stripe

literature stripe

Patent stripe

patents stripe